3-{2-[4-(2,5-dimethylphenyl)piperazin-1-yl]-2-oxoethyl}-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
Chemical Structure Depiction of
3-{2-[4-(2,5-dimethylphenyl)piperazin-1-yl]-2-oxoethyl}-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
3-{2-[4-(2,5-dimethylphenyl)piperazin-1-yl]-2-oxoethyl}-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
Compound characteristics
| Compound ID: | F796-0096 |
| Compound Name: | 3-{2-[4-(2,5-dimethylphenyl)piperazin-1-yl]-2-oxoethyl}-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one |
| Molecular Weight: | 415.49 |
| Molecular Formula: | C24 H25 N5 O2 |
| Smiles: | Cc1ccc(C)c(c1)N1CCN(CC1)C(CN1C=Nc2c3ccccc3[nH]c2C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.861 |
| logD: | 2.8609 |
| logSw: | -3.3075 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.649 |
| InChI Key: | XPTBTMIFRUGNFW-UHFFFAOYSA-N |